2-[5-ethanoyl-3-(2-methylpropanoyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enyl 2-methylpropanoate

Systemtic Name: 2-[5-ethanoyl-3-(2-methylpropanoyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enyl 2-methylpropanoate Openeye Name: 2-[5-acetyl-3-(2-methylpropanoyloxy)-2,3-dihydrobenzofuran-2-yl]allyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 2-[5-acetyl-3-(2-methyl-1-oxopropoxy)-2,3-dihydrobenzofuran-2-yl]prop-2-enyl ester IUPAC Name: 2-[5-acetyl-3-(2-methylpropanoyloxy)-2,3-dihydro-1-benzofuran-2-yl]prop-2-enyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 2-(5-acetyl-3-isobutyryloxy-coumaran-2-yl)allyl ester Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)OCC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)OC(=O)C(C)C

InChI

InChI=1S/C21H26O6/c1-11(2)20(23)25-10-13(5)18-19(27-21(24)12(3)4)16-9-15(14(6)22)7-8-17(16)26-18/h7-9,11-12,18-19H,5,10H2,1-4,6H3